| SpectraBase Spectrum ID |
HWfxaswdBOi |
| Name |
3-(7-Chloro-n-heptyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35ClN4O |
| InChI |
InChI=1S/C25H35ClN4O/c1-2-3-4-12-17-29-19-22(27-28-29)20-30-23(14-8-6-5-7-11-16-26)18-21-13-9-10-15-24(21)25(30)31/h9-10,13,15,18-19H,2-8,11-12,14,16-17,20H2,1H3 |
| InChIKey |
HQABLPACFGVSIQ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
443.035 g/mol |
| Quality |
51 |
| Reported Formula |
C25H35(35)ClN4O |
| SMILES |
C=1C=CC=2C=C(CCCCCCCCl)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1 |
| SPLASH |
splash10-0abl-0916800000-29a3617161ed30ddad29 |
| Source of Spectrum |
ACI-57-SM22-3ak (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891070 |
![3-(7-Chloro-n-heptyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/HWfxaswdBOi/structure.png?h=300&w=458 "3-(7-Chloro-n-heptyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
